SCHEMBL3816980

SCHEMBL3816980

CCCCC(CC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 5/20 0.49
CA1 known ✓ P00915 2/20 0.33
ALDH1A1 P00352 4/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 4/20 0.34
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
NFKB1 P19838 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9326632 0.97 CA2 (0.46) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL818559 0.89 CA2 (0.49) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL6230350 0.89 CA2 (0.49) CA2ALDH1A1RECQLCYP3A4TSHR
Lithium Ion SCHEMBL21747203 0.86 CA2 (0.46) CA2ALDH1A1RECQLCYP3A4TSHR
Potassium Ion SCHEMBL816755 0.86 CA2 (0.46) CA2ALDH1A1RECQLCYP3A4TSHR
Silver SCHEMBL5574910 0.86 CA2 (0.46) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL17837104 0.81 CA2 (0.42) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL5254621 0.80 CA2 (0.51) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL3663228 0.80 CA2 (0.40) CA2RECQLCYP3A4TSHRTDP1
SCHEMBL1423320 0.79 CA2 (0.57) CA2ALDH1A1CYP3A4TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942721-A CL-20 COATED WITH SHOCK SENSITIVITY REDUCING AGENTS TO REDUCE THE SUSCEPTIBILITY TO IMPACT AND SYMPATHETIC DETONATION ANDIMPART AN INCREASE IN HDC IMPACT VALUE WHICH IS STATISTICALLY SIGNIFICANT; USING ANIONIC AROMATIC AGENTS EASTMAN CHEMICAL COMPANY (US) 1999-08-24 US claimed
CN-112501907-B Treating agent for synthetic fiber and synthetic fiber 竹本油脂株式会社 2023-01-24 CN disclosed
EP-1507903-B1 PROCESS FOR PRODUCING VAPOR-GROWN CARBON FIBERS SHOWA DENKO KK (JP) 2009-08-05 EP disclosed
US-7390475-B2 Process for producing vapor-grown carbon fibers SHOWA DENKO K.K. (JP) 2008-06-24 US disclosed
CN-1301353-C Method for producing vapor grown carbon fiber SHOWA DENKO KK (JP) 2007-02-21 CN disclosed
CN-1643193-A Process for producing vapor-grown carbon fibers SHOWA DENKO KK (JP) 2005-07-20 CN disclosed
US-20050104044-A1 Process for producing vapor-grown carbon fibers SHOWA DENKO K.K. (JP) 2005-05-19 US disclosed
EP-1507903-A2 PROCESS FOR PRODUCING VAPOR-GROWN CARBON FIBERS Showa Denko K.K. (JP) 2005-02-23 EP disclosed
WO-2003097909-A2 PROCESS FOR PRODUCING VAPOR-GROWN CARBON FIBERS SHOWA DENKO K. K. (JP) 2003-11-27 WO disclosed
US-5942721-A CL-20 COATED WITH SHOCK SENSITIVITY REDUCING AGENTS TO REDUCE THE SUSCEPTIBILITY TO IMPACT AND SYMPATHETIC DETONATION ANDIMPART AN INCREASE IN HDC IMPACT VALUE WHICH IS STATISTICALLY SIGNIFICANT; USING ANIONIC AROMATIC AGENTS EASTMAN CHEMICAL COMPANY (US) 1999-08-24 US disclosed
US-4818662-A IMPROVING SEPARABILITY OF SILVER HALIDE PORTION AND DYE FIXING PORTION BY ADDING POLYVINYL ALCOHOL TO SURFACE LAYER FUJI PHOTO FILM CO., LTD. (JP) 1989-04-04 US disclosed
EP-0118907-B1 PROCESS FOR FORMING IMAGE FUJI PHOTO FILM CO., LTD. (JP) 1987-01-21 EP disclosed
US-4599296-A DYE-RELEASING REDOX COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1986-07-08 US disclosed
US-4587206-A PHOTOTHERMOGRAPHY USING SILVER HALIDE EMULSIONS, DYE-RELEASING REDOX COMPOUND AND HYDROXY-CONTAINING ESTERS FOR STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1986-05-06 US disclosed
US-4528258-A Process for forming image FUJI PHOTO FILM CO., LTD. (JP) 1985-07-09 US disclosed
US-4514493-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1985-04-30 US disclosed
US-4500627-A HEATING WITH CASRBOXYLATED OR PHOSPHATED AMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1985-02-19 US disclosed
EP-0123166-A2 Process for forming color images FUJI PHOTO FILM CO., LTD. (JP) 1984-10-31 EP disclosed
EP-0121765-A2 Process for forming image FUJI PHOTO FILM CO., LTD. (JP) 1984-10-17 EP disclosed
EP-0118907-A2 Process for forming image FUJI PHOTO FILM CO., LTD. (JP) 1984-09-19 EP disclosed